Geometry & MOs

Info

ID:

118513

PubChem CID:

50645130

Reduced:

ClO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

680.228074

ΔHf, kcal/mol:

-214.59

Dipole, Da:

7.22

IP(EA), eV:

 -9.03(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(2-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NC5CCCC5

DOS

IR

Vibrations